2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine

C16H16N2S2Se — CID 10643422

IUPAC2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine
SMILESNc1ccsc1C(C[Se]c1ccccc1)c1sccc1N
InChIInChI=1S/C16H16N2S2Se/c17-13-6-8-19-15(13)12(16-14(18)7-9-20-16)10-21-11-4-2-1-3-5-11/h1-9,12H,10,17-18H2
InChIKeyIMJBXAWBITWOEA-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine

2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine (PubChem CID 10643422) has the molecular formula C16H16N2S2Se and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine
PubChem CID10643422
Molecular FormulaC16H16N2S2Se
Molecular Weight379.41 g/mol
Exact Mass379.99
IUPAC Name2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine
SMILESNc1ccsc1C(C[Se]c1ccccc1)c1sccc1N
InChIInChI=1S/C16H16N2S2Se/c17-13-6-8-19-15(13)12(16-14(18)7-9-20-16)10-21-11-4-2-1-3-5-11/h1-9,12H,10,17-18H2
InChIKeyIMJBXAWBITWOEA-UHFFFAOYSA-N
XLogP3.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine?
The IUPAC name of 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine (CID 10643422) is 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine.
What is the SMILES notation for 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine?
The canonical SMILES for 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine is Nc1ccsc1C(C[Se]c1ccccc1)c1sccc1N.
What is the InChIKey of 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine?
The InChIKey is IMJBXAWBITWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2Se/c17-13-6-8-19-15(13)12(16-14(18)7-9-20-16)10-21-11-4-2-1-3-5-11/h1-9,12H,10,17-18H2.
What are the key properties of 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine?
2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine has a molecular weight of 379.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine is sourced from PubChem (CID 10643422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).